ترغب بنشر مسار تعليمي؟ اضغط هنا

Comments on Thermodiffusion: The physico-chemical mechanics view. J. Chem. Phys. 154, 024112 (2021)

75   0   0.0 ( 0 )
 نشر من قبل Zi-Kui Liu
 تاريخ النشر 2021
  مجال البحث فيزياء
والبحث باللغة English
 تأليف Zi-Kui Liu




اسأل ChatGPT حول البحث

In a series of publications, Kocherginsky and Gruebele presented a systematic framework for chemical transport and thermodiffusion to predict the Soret coefficients from thermodynamics. A macroscopic derivation of the Onsager reciprocal relations without recourse to microscopic fluctuations or equations of motion was also discussed. Their important contributions and some confusions are discussed.



قيم البحث

اقرأ أيضاً

124 - Caroline Terquem 2021
The tidal evolution of interacting binaries when the orbital period is short compared to the primary stars convective time scale is a problem of long-standing. Terquem (2021) has argued that, when this temporal ordering scheme is obeyed, the rate of energy transfer from tides to convection (denoted $D_R$) is given by the product of the averaged Reynolds stress associated with the tidal velocity and the mean shear associated with the convective flow. In a recent response, Barker and Astoul (2021, hereafter BA21) claim to show that $D_R$ (in this form) cannot contribute to tidal dissipation. Their analysis is based on a study of Boussinesq and anelastic models. Here, we demonstrate that BA21 misidentify the correct term responsible for energy transfer between tides and convection. As a consequence, their anelastic calculations do not prove that the $D_R$ formulation is invalidated as an energy-loss coupling between tides and convection. BA21 also carry out a calculation in the Boussinesq approximation. Here, their claim that $D_R$ once again does not contribute is based on boundary conditions that do not apply to any star or planet that radiates energy from its surface, which is a key dissipational process in the problem we consider.
113 - G. Vignale , C. A. Ullrich , 2012
This comment criticizes the above paper by Xiao-Yin Pan and Viraht Sahni. It is shown that their formulation of Physical Current Density Functional Theory is, at best, a garbled reformulation of the Vignale-Rasolt current-density functional theory, a nd, at worst, a potential source of mistakes insofar as it complicates the formulation of the variational principle and prevents the constrained search construction of the universal functional.
We extend the tight distance-dependent estimator proposed by Hollman et al. [J. Chem. Phys. 142, 154106 (2015)] for the three-center Coulomb integrals over Gaussian atomic orbitals to handle the two-center case. We also propose minor modifications of the original three-center estimator for the case of contracted ket Gaussians and concentric bra Gaussians.
التعليقات
جاري جلب التعليقات جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
mircosoft-partner

هل ترغب بارسال اشعارات عن اخر التحديثات في شمرا-اكاديميا